기본 정보
- CAS
1101132-67-5- 표준 SMILES
CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(OCCOC)c2C)c1OC(C)OC(=O)OC- InChIKey
GHLCSCRDVVEUQD-UHFFFAOYSA-N- 분자식
- C21H28N2O9S
- 평균 분자량
- 484.5 g/mol
- 단동위원소 질량
- 484.15155148
개요
1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate is a benzoylpyrazole that is 1H-pyrazole substituted by an ethyl, 3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl, and 1-[(methoxycarbonyl)oxy]ethoxy groups at positions 1, 4 and 5, respectively. It is a member of toluenes, an aromatic ether, a sulfone, a benzoylpyrazole, a carbonate ester and an aromatic ketone.
이름 및 식별자
- 우선 이름
- Tolpyralate
- IUPAC
- 1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate
- 영어명
- TOLPYRALATE
- 분자식
- C21H28N2O9S
- 분자량
- 484.52
이름 및 동의어
Tolpyralate1101132-67-5Tolpyralate [ISO]U30799TIHEDTXSID10894199(RS)-1-(1-Ethyl-4-(4-mesyl-3-(2-methoxyethoxy)-o-toluoyl)pyrazol-5-yloxy)ethyl methyl carbonate1-((1-ETHYL-4-(3-(2-METHOXYETHOXY)-2-METHYL-4-(METHYLSULFONYL)BENZOYL)-1H-PYRAZOL-5-YL)OXY)ETHYL METHYL ESTER CARBONIC ACIDrac-tolpyralateShieldExracemic tolpyralate(RS)-tolpyralate(RS)-1-(1-ethyl-4-(4-mesyl-3-(2-methoxyethoxy)-o-toluoyl)-1H-pyrazol-5-yloxy)ethyl methyl carbonate
이름 더 보기
Tolpyralate StandardTolpyralate 100 μg/mL in AcetonitrileCarbonic acid, 1-[[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl]oxy]ethyl methyl ester
(RS)-1-(1-ethyl-4-(4-mesyl-3-(2-methoxyethoxy)-o-toluoyl)pyrazol-5-yloxy)ethyl methyl carbonate;tolpyralate(RS)-1-{1-ethyl-4-[4-mesyl-3-(2-methoxyethoxy)-o-toluoyl]-1H-pyrazol-5-yloxy}ethyl methyl carbonate(RS)-1-{1-ethyl-4-[4-mesyl-3-(2-methoxyethoxy)-o-toluoyl]pyrazol-5-yloxy}ethyl methyl carbonate;tolpyralaterac-1-((1-ethyl-4-(3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl)-1H-pyrazol-5-yl)oxy)ethyl methyl carbonaterac-1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonateRefChem:898550CHEBI:145506DTXCID801324245
데이터베이스 식별자
- CAS
1101132-67-5- PubChem CID
- 44473182
- DTXSID
DTXSID10894199- ChEBI
CHEBI:145511- UNII
- U30799TIHE
- EC Number
- 701-225-3
- Nikkaji
- J3.064.406I
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 757
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
물리화학적 성질
- EPA
- Tolpyralate (1101132-67-5)
안전 및 규제
GHS 분류
GHS Classification
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
Warning
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationTolpyralate is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Hazard Classes and Categories
Carc. 2 (100%)
Carc. 2
독성 정보
RAIS Toxicity Values
0.05
OPP
0.0093
OPP
EPA Human Health Benchmarks for Pesticides
Tolpyralate
0.05
1000
Females 13-49 yrs
0.0093
55
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H351
화학 및 산업
응용 분야
용도Tolpyralate is an imidazolinone based herbicide which may be used in crop prevention.
공급사3 곳
唐山环合科技有限公司022-13615473007 13615473007 · [email protected]
上海泰坦科技股份有限公司18616708014 · [email protected]
ShangHai IKSChem Technology Co.,LTD+86-18337276608 · [email protected]
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